SCHEMBL7533337

SCHEMBL7533337

CC(C)c1cc(C(=O)OCc2ccccc2)cc(C(C)C)c1OC(=O)c1c2ccccc2nc2cc3ccccc3cc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 2/20 0.43
TOP2A P11388 3/20 0.42
TOP2B Q02880 3/20 0.42
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DHODH Q02127 1/20 0.37
HPGD P15428 1/20 0.37
EDNRA P25101 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7533211 0.95 GLRA1 (0.47) GLRA1TOP2ATOP2BKMT2ATDP1
SCHEMBL7533840 0.87 TDP1 (0.42) TOP2ATOP2BKMT2ATDP1SLC6A2
SCHEMBL9631380 0.81 TDP1 (0.47) TOP2ATOP2BKMT2ATDP1SLC6A2
SCHEMBL5663425 0.80 LMNA (0.44) TOP2ATOP2BKMT2ATDP1SLC6A2
SCHEMBL7539788 0.79 MEN1 (0.44) TOP2ATOP2BKMT2ALMNAALDH1A1
SCHEMBL3034156 0.78 PLA2G2A (0.48) TOP2ATOP2BKMT2ATDP1LMNA
SCHEMBL7532967 0.78 TACR3 (0.47) TOP2ATOP2BKMT2ATDP1NPC1
SCHEMBL7531961 0.78 PLA2G2A (0.48) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL7538139 0.77 GLRA1 (0.37) GLRA1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL38665320 0.76 PDE10A (0.44) KMT2AMAPTDHODH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0617288-B1 Long emission wavelength chemiluminescent compounds and their use in test assays NOVARTIS AG (CH) 2002-05-02 EP disclosed
US-5395752-A Detecting emission signals of conjugates of angular or linear four ring or three ring acridinium compounds CIBA CORNING DIAGNOSTICS CORP. (US) 1995-03-07 US disclosed
WO-1994021823-A1 LONG EMISSION WAVELENGTH CHEMILUMINESCENT COMPOUNDS AND THEIR USE IN TEST ASSAYS CIBA CORNING DIAGNOSTICS CORP. (US) 1994-09-29 WO disclosed
EP-0617288-A2 Long emission wavelength chemiluminescent compounds and their use in test assays CIBA-GEIGY AG (CH) 1994-09-28 EP disclosed